9-(5-ethyl-2-methylpyrimidin-4-yl)-3-oxa-9-azaspiro[5.5]undecane

C16H25N3O — CID 56867432

IUPAC9-(5-ethyl-2-methylpyrimidin-4-yl)-3-oxa-9-azaspiro[5.5]undecane
SMILESCCc1cnc(C)nc1N1CCC2(CCOCC2)CC1
InChIInChI=1S/C16H25N3O/c1-3-14-12-17-13(2)18-15(14)19-8-4-16(5-9-19)6-10-20-11-7-16/h12H,3-11H2,1-2H3
InChIKeyHBXVQVUUMPXAMQ-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.74
Rot. Bonds2

About 9-(5-ethyl-2-methylpyrimidin-4-yl)-3-oxa-9-azaspiro[5.5]undecane

9-(5-ethyl-2-methylpyrimidin-4-yl)-3-oxa-9-azaspiro[5.5]undecane (PubChem CID 56867432) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 9-(5-ethyl-2-methylpyrimidin-4-yl)-3-oxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name9-(5-ethyl-2-methylpyrimidin-4-yl)-3-oxa-9-azaspiro[5.5]undecane
PubChem CID56867432
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name9-(5-ethyl-2-methylpyrimidin-4-yl)-3-oxa-9-azaspiro[5.5]undecane
SMILESCCc1cnc(C)nc1N1CCC2(CCOCC2)CC1
InChIInChI=1S/C16H25N3O/c1-3-14-12-17-13(2)18-15(14)19-8-4-16(5-9-19)6-10-20-11-7-16/h12H,3-11H2,1-2H3
InChIKeyHBXVQVUUMPXAMQ-UHFFFAOYSA-N
XLogP2.74
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 141403699
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CID 58333099
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Frequently Asked Questions

What is the IUPAC name of 9-(5-ethyl-2-methylpyrimidin-4-yl)-3-oxa-9-azaspiro[5.5]undecane?
The IUPAC name of 9-(5-ethyl-2-methylpyrimidin-4-yl)-3-oxa-9-azaspiro[5.5]undecane (CID 56867432) is 9-(5-ethyl-2-methylpyrimidin-4-yl)-3-oxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for 9-(5-ethyl-2-methylpyrimidin-4-yl)-3-oxa-9-azaspiro[5.5]undecane?
The canonical SMILES for 9-(5-ethyl-2-methylpyrimidin-4-yl)-3-oxa-9-azaspiro[5.5]undecane is CCc1cnc(C)nc1N1CCC2(CCOCC2)CC1.
What is the InChIKey of 9-(5-ethyl-2-methylpyrimidin-4-yl)-3-oxa-9-azaspiro[5.5]undecane?
The InChIKey is HBXVQVUUMPXAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-14-12-17-13(2)18-15(14)19-8-4-16(5-9-19)6-10-20-11-7-16/h12H,3-11H2,1-2H3.
What are the key properties of 9-(5-ethyl-2-methylpyrimidin-4-yl)-3-oxa-9-azaspiro[5.5]undecane?
9-(5-ethyl-2-methylpyrimidin-4-yl)-3-oxa-9-azaspiro[5.5]undecane has a molecular weight of 275.40 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5-ethyl-2-methylpyrimidin-4-yl)-3-oxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 56867432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).